REMARK  Name = BDB018439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.223   4.116  -2.554  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.341   2.914  -1.742  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.571   2.585  -1.192  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.604   3.235  -1.323  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.602   1.342  -0.383  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.509   0.571  -0.215  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.240   0.981  -0.849  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.222   2.121  -1.568  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.646  -0.616   0.644  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.064  -0.684   1.982  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -2.195  -1.778   2.741  0.00  0.00    +0.188 A 
ATOM     12  F   LIG    1       -1.666  -1.855   3.976  0.00  0.00    -0.200 F 
ATOM     13  C   LIG    1       -2.946  -2.962   2.246  0.00  0.00    +0.284 A 
ATOM     14  O   LIG    1       -3.102  -3.980   2.909  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1       -3.465  -2.824   0.975  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -3.974  -3.627   0.623  0.00  0.00    +0.168 HD
ATOM     17  C   LIG    1       -3.322  -1.696   0.201  0.00  0.00    +0.094 A 
ENDBRANCH   6   9
BRANCH   7  18
ATOM     18  C   LIG    1       -0.053   0.190  -0.719  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.154   0.604  -0.203  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.018  -0.477  -0.262  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.403  -1.545  -0.816  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.162  -1.146  -1.083  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.375  -0.545   0.184  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        4.180  -1.688  -0.017  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        5.506  -1.688   0.462  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        6.035  -0.583   1.126  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.246   0.542   1.322  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.929   0.565   0.856  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1        3.771  -2.884  -0.708  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        3.552  -3.884  -1.257  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   7  18
TORSDOF 4